CID 6259123

N-(2-(4-cl-ph)-1-(((3-(1h-imidazol-1-yl)pr)amino)carbonyl)vinyl)-4-meo-benzamide

Structural Information

Molecular Formula
C23H23ClN4O3
SMILES
COC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Cl)/C(=O)NCCCN3C=CN=C3
InChI
InChI=1S/C23H23ClN4O3/c1-31-20-9-5-18(6-10-20)22(29)27-21(15-17-3-7-19(24)8-4-17)23(30)26-11-2-13-28-14-12-25-16-28/h3-10,12,14-16H,2,11,13H2,1H3,(H,26,30)(H,27,29)/b21-15+
InChIKey
LPGOUBKYUPUIAO-RCCKNPSSSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.14587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.15315 204.8
[M+Na]+ 461.13509 208.9
[M-H]- 437.13859 211.4
[M+NH4]+ 456.17969 212.6
[M+K]+ 477.10903 202.5
[M+H-H2O]+ 421.14313 193.9
[M+HCOO]- 483.14407 221.3
[M+CH3COO]- 497.15972 230.1
[M+Na-2H]- 459.12054 204.1
[M]+ 438.14532 208.0
[M]- 438.14642 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.